4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-
TL;DR: 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)- (CAS 134889-32-0) is a chemical compound with molecular formula C13H9F3N2O5 and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid
Also Known As: 3-Carboxy-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4-isoxazolecarboxamide, 3-Carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-4-isoxazolecarboxamide, 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-, 5-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic Acid, 5-Methyl-4-{[4-(trifluoromethoxy)phenyl]carbamoyl}-1,2-oxazole-3-carboxylic acid
| Molecular Formula | C13H9F3N2O5 |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.04636 |
| Heavy Atoms | 23 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 134889-32-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)O)C(=O)NC2=CC=C(C=C2)OC(F)(F)F |
| InChIKey | VFECUPZTRKZTJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)- (CAS 134889-32-0), with molecular formula C13H9F3N2O5 and molecular weight 330.05 g/mol. IUPAC: 5-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-
Property Insights of 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-. Following Lipinski's Rule of Five, 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-?
The CAS number of 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)- is 134889-32-0.
What is the molecular formula of 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-?
The molecular formula of 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)- is C13H9F3N2O5.
What is the molecular weight of 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-?
The molecular weight of 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)- is 330.05 g/mol.
Where can I buy 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-?
You can request a quote for 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxamide, 3-carboxy-5-methyl-N-(4-(trifluoromethoxy)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.